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Table 2 Solvent accessibilities (Å2) of amino acid residues in protein unfolded ensembles calculated with ProtSA

From: ProtSA: a web application for calculating sequence specific protein solvent accessibilities in the unfolded ensemble

Residue

Number of Residues1

Average2

Minimum3

Maximum4

% Difference5

Ala

349

73.2 (73.1)

58.2

84.2

31

Arg

233

178.9 (178.6)

155.3

192.8

19

Asn

198

109.2 (109.1)

91.1

121.5

25

Asp

255

102.2 (102.0)

83.8

117.2

29

Cys

51

88.7 (88.3)

76.7

98.2

22

Glu

287

126.0 (125.9)

108.9

140.9

23

Gln

171

125.9 (125.6)

108.6

141.6

23

Gly

312

54.3 (54.2)

36.6

65.6

44

His

115

129.5 (129.3)

109.0

140.0

22

Ile

229

122.5 (122.2)

107.2

135.5

21

Leu

407

131.9 (131.5)

110.3

147.7

25

Lys

247

149.9 (149.8)

131.2

167.2

22

Met

102

134.3 (133.6)

122.0

149.1

18

Phe

174

146.1 (146.1)

130.7

163.2

20

Pro

217

100.3 (100.0)

81.8

123.4

34

Ser

198

76.0 (75.8)

59.3

90.5

34

Thr

245

93.3 (93.2)

79.7

107.6

26

Trp

70

173.2 (173.0)

161.8

185.1

13

Tyr

148

156.9 (156.8)

140.1

173.2

19

Val

319

102.2 (102.0)

84.8

115.3

26

Mean

 

118.7 (118.5)

101.9

133.0

25

  1. 1Total number of residues of that kind found in the 19 protein sequences simulated.
  2. 2Residue-specific solvent exposure averages. The numbers in parenthesis were calculated with NACCESS (see [14])
  3. 3Minimum solvent exposure found in one of the 19 denatured ensembles.
  4. 4Maximum solvent exposure found in one of the 19 denatured ensembles.
  5. 5Percentage difference between maximum and minimum solvent exposures found for one residue type: 100(max-min)/max